Name: PonatiLink-1-24
Rating: 5 (10 reviews)

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HIT ID:HIT217583759
Cas No:2941512-45-2
常用名:PonatiLink-1-24
IUPAC:N-[4-(chlorodifluoromethoxy)phenyl]-6-[4-({75-[4-({4-[3-(2-{imidazo[1,2-b]pyridazin-3-yl}ethynyl)-4-methylbenzamido]-2-(trifluoromethyl)phenyl}methyl)piperazin-1-yl]-75-oxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72-tetracosaoxapentaheptacontan-1-yl}carbamoyl)piperidin-1-yl]-5-(1H-pyrazol-3-yl)pyridine-3-carboxamide
IUPAC:N-[4-(chlorodifluoromethoxy)phenyl]-6-[4-({75-[4-({4-[3-(2-{imidazo[1,2-b]pyridazin-3-yl}ethynyl)-4-methylbenzamido]-2-(trifluoromethyl)phenyl}methyl)piperazin-1-yl]-75-oxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72-tetracosaoxapentaheptacontan-1-yl}carbamoyl)piperidin-1-yl]-5-(1H-pyrazol-3-yl)pyridine-3-carboxamide
InChI key:VAALVSOKWZKXRF-UHFFFAOYSA-N

分子式:C101H144ClF5N12O29
分子量:2120.76
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CC2)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C2CCN(CC2)c2ncc(cc2-c2cc[nH]n2)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)c(c1)C(F)(F)F
SMILES:Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CC2)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C2CCN(CC2)c2ncc(cc2-c2cc[nH]n2)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)c(c1)C(F)(F)F

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